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Bile acid


DATA No : BBA0071 INFORMANT : Takashi Iida

NAME : 3b,6b,7b-Trihydroxy-5b-cholan-24-oic Acid

COMMON NAME:
SYMBOL:
FORMULA: C24H40O5 MOL.WT (average) : 408.571


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BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:189-190degC(Ref. 0029)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1713(C=O), 3425, 1038(OH)(Ref. 0029)

NMR SPECTRA:1H-NMR (CDCl3+10%DMSO-d6; 90MHz) d: 18-Me 0.69(s), 21-Me 0.94(d), 19-Me 1.12(s), 7a-H 3.43(brm), 6a-H 3.61(m), 3a-H 4.03(m)(Ref. 0029)
Me ester 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.70(s), 19-Me 1.13(s), 21-Me 0.93(d), 7a-H 3.50(dd,J,10.1, 3.6), 6a-H 3.65(dd, J, 3.6, 2.7), COOMe 3.67(s), 3a-H 4.07(m)(Ref. 0029)
Me ester 13C-NMR (CDCl3; 22.53MHz) d: C-1 30.1, C-2 27.4, C-3 65.7, C-4 32.5, C-5 42.4, C-6 75.0, C-7 73.4, C-8 38.5, C-9 39.2, C-10 34.2, C-11 21.0, C-12 39.9, C-13 43.5, C-14 30.9, C-15 26.9, C-16 28.4, C-17 55.6, C-18 12.0, C-19 25.6, C-20 35.1, C-21 18.3, C-22 30.9, C-23 30.9, C-24 174.6, C-25 51.3(Ref. 0029)

MASS SPECTRA:Me ester (70eV) m/z: 422 (M+, 6%), 404(M-H2O, 86%), 386(M-2H2O, 40%), 371(M-2H2O-CH3, 9%)(Ref. 0029)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0029]
AUTHOR:Iida, T., Momose, T., Tamura, T., Matsumoto, T., Chang, F. C., Goto, J., and Nambara, T.
TITLE:Potential bile acid metabolites. 14. Hyocholic and muricholic acid stereoisomers PubMed ID:2769078
JOURNAL:J Lipid Res.
VOL:30 PAGE : 1267-1279 (1989)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.